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Substance Name: Isobornyl isobutyrate
RN: 85586-67-0
UNII: 0HWY1Q2V54
InChIKey: KRKIAJBQOUBNSE-GYSYKLTISA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.3416
 
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Names and Synonyms

Name of Substance

  • Isobornyl isobutyrate

Synonyms

  • EINECS 287-872-8
  • UNII-0HWY1Q2V54

Systematic Names

  • exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
  • Propanoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-

Registry Numbers

CAS Registry Number

  • 85586-67-0

FDA UNII

  • 0HWY1Q2V54

Other Registry Number

  • 149714-10-3

System Generated Number

  • 0085586670

Structure Descriptors

InChI

1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1

InChIKey

KRKIAJBQOUBNSE-GYSYKLTISA-N

Smiles

CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C